203 citations · 461 across the 14 of their papers we have counts for
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cs.LG2021★ 203 cited
Inverse design of 3d molecular structures with conditional generative neural networks
Niklas W. A. Gebauer, Michael Gastegger, Stefaan S. P. Hessmann +2
The rational design of molecules with desired properties is a long-standing challenge in chemistry. Generative neural networks have emerged as a powerful approach to sample novel m…
cs.LG2021★ 15 cited
Explaining Bayesian Neural Networks
Kirill Bykov, Marina M. -C. Höhne, Adelaida Creosteanu +4
To advance the transparency of learning machines such as Deep Neural Networks (DNNs), the field of Explainable AI (XAI) was established to provide interpretations of DNNs' predicti…